UCSF

ZINC33673346

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 23 No

Other Names:

MFCD04089081

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 10.28 -9.43 1 3 0 36 304.393 2
Mid Mid (pH 6-8) 4.01 10.21 -31.93 2 3 1 37 305.401 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )